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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL125492
Molecular formula	C34H40ClFN4O3
IUPAC name	(3S)-4-[4-[2-[1-[acetyl(ethyl)amino]ethyl]phenyl]piperazin-1-yl]-3-[(4-chlorophenyl)methyl]-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
Molecular weight	607.167
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.8
Synonyms	(S)-4-(4-{2-[1-(Acetyl-ethyl-amino)-ethyl]-phenyl}-piperazin-1-yl)-3-(4-chloro-benzyl)-N-(2-fluoro-benzyl)-4-oxo-butyramide BDBM50138304 SCHEMBL4520740
Inchi Key	BHPIELNHPBSWKO-AZKKKJBWSA-N
Inchi ID	InChI=1S/C34H40ClFN4O3/c1-4-40(25(3)41)24(2)30-10-6-8-12-32(30)38-17-19-39(20-18-38)34(43)28(21-26-13-15-29(35)16-14-26)22-33(42)37-23-27-9-5-7-11-31(27)36/h5-16,24,28H,4,17-23H2,1-3H3,(H,37,42)/t24?,28-/m0/s1
PubChem CID	44349469
ChEMBL	CHEMBL125492
IUPHAR	N/A
BindingDB	50138304
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
23946	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
23945	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
23944	Melanocyte-stimulating hormone receptor	Q01727	Mc1r	Mus musculus (Mouse)	315

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